CID 22406487

Tert-butyl n-(4-sulfanylbutyl)carbamate

Structural Information

Molecular Formula
C9H19NO2S
SMILES
CC(C)(C)OC(=O)NCCCCS
InChI
InChI=1S/C9H19NO2S/c1-9(2,3)12-8(11)10-6-4-5-7-13/h13H,4-7H2,1-3H3,(H,10,11)
InChIKey
PQQDXPZRVKVGDZ-UHFFFAOYSA-N
Compound name
tert-butyl N-(4-sulfanylbutyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

63
Patents

205.11365 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.120926 149.0
[M+Na]+ 228.102868 154.5
[M-H]- 204.106374 149.1
[M+NH4]+ 223.147473 168.5
[M+K]+ 244.076808 153.4
[M+H-H2O]+ 188.110910 143.6
[M+HCOO]- 250.111851 165.4
[M+CH3COO]- 264.127501 187.0
[M+Na-2H]- 226.088316 150.9
[M]+ 205.11310142 153.4
[M]- 205.11419858 153.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe